SCHEMBL4025409

SCHEMBL4025409

Cn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.80
CYP2D6 P10635 8/20 0.80
CYP1A2 P05177 5/20 0.80
CSNK1A1 P48729 1/20 0.56
GSK3A P49840 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14063605 1.00 GSK3B (0.80) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4025410 1.00 GSK3B (0.80) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2119680 0.94 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116219 0.94 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116221 0.94 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13910378 0.90 GSK3B (0.83) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL14063622 0.90 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13910553 0.90 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4027662 0.90 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4027440 0.89 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100488958-C 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP SANOFI (JP) 2009-05-20 CN claimed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US claimed
US-20050090490-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-04-28 US claimed
CN-1556804-A 3-substituted-4-pyrimidone derivatives ������ҩ��ʽ���� 2004-12-22 CN claimed
CN-1810802-B 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP 2011-04-27 CN disclosed
CN-100488958-C 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP SANOFI (JP) 2009-05-20 CN disclosed
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 EP disclosed
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 EP disclosed
CN-101274928-A 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2008-10-01 CN disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 US disclosed
CN-1810802-A 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2006-08-02 CN disclosed
US-20050090490-A1 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-04-28 US disclosed
CN-1556804-A 3-substituted-4-pyrimidone derivatives ������ҩ��ʽ���� 2004-12-22 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050090490-A1 3-Substituted-4-pyrimidone derivatives CDK1, TTBK1, CDK2 GSK3B 247/4885CYP2D6 1144/4885CYP1A2 1336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.